Open Access. Powered by Scholars. Published by Universities.®
- Keyword
-
- Positive ions (2)
- Ab initio calculations (1)
- Ammonia (1)
- Charge exchange (1)
- Chemical reactions (1)
-
- Coupled cluster calculations (1)
- Ginzburg-Landau theory (1)
- Ground states (1)
- Helium (1)
- Indeterminancy (1)
- Krypton compounds (1)
- Laser beams (1)
- Laser cavity resonators (1)
- Lithium (1)
- Molecular configurations (1)
- Neon (1)
- Nonlinear optics (1)
- Quasimolecules (1)
- Solvent effects (1)
- Student experiments (1)
- Superconductivity (1)
- Triplet state (1)
- Water (1)
- Zinc (1)
Articles 1 - 4 of 4
Full-Text Articles in Physics
An Ab Initio Study Of The Mono- And Difluorides Of Krypton, Gerald J. Hoffman, Laura A. Swafford '97, Robert J. Cave
An Ab Initio Study Of The Mono- And Difluorides Of Krypton, Gerald J. Hoffman, Laura A. Swafford '97, Robert J. Cave
All HMC Faculty Publications and Research
Results from ab initio calculations at the CCSD(T) level of theory are presented for krypton monofluoride (KrF), krypton monofluoride cation (KrF+), linear, ground-state krypton difluoride (KrF2), the triplet state of krypton difluoride, and the krypton–fluorine van der Waals complex (Kr–F2). These are the first calculations demonstrating that KrF is a bound molecule, in agreement with experimental observation. When corrected for basis-set superposition error, the calculated potential displays quantitative agreement with the attractive wall of the experimentally measured potential curve. Results are also presented for KrF+ and linear KrF2 which yield accurate values for their dissociation energies. The triplet state of …
An Ab Initio Study Of Specific Solvent Effects On The Electronic Coupling Element In Electron Transfer Reactions, Thomas M. Henderson '98, Robert J. Cave
An Ab Initio Study Of Specific Solvent Effects On The Electronic Coupling Element In Electron Transfer Reactions, Thomas M. Henderson '98, Robert J. Cave
All HMC Faculty Publications and Research
Specific solvent effects on the electronic coupling element for electron transfer are examined using two model donor–acceptor systems (Zn2+ and Li2+) and several model “solvent” species (He, Ne, H2O, and NH3). The effects are evaluated relative to the given donor–acceptor pair without solvent present. The electronic coupling element (Hab) is found to depend strongly on the identity of the intervening solvent, with He atoms decreasing Hab, whereas H2O and NH3 significantly increase Hab. The distance dependence (essentially exponential decay) is weakly affected by a single intervening solvent atom–molecule. However, when the donor–acceptor distance increases in concert with addition of successively …
Ultrafast Phenomena: A Laboratory Experiment For Undergraduates, Thomas D. Donnelly, Carl Grossman
Ultrafast Phenomena: A Laboratory Experiment For Undergraduates, Thomas D. Donnelly, Carl Grossman
All HMC Faculty Publications and Research
We present a set of experiments that introduce students to ultrafast science. We discuss the relationship between the description of an ultrashort laser pulse in the frequency domain and the time domain. Using experimental results we demonstrate that this relationship is constrained by the lower limit of the Heisenberg uncertainty principle. Students carrying out the experiments will become familiar with ultrafast techniques, such as autocorrelation and laser cavity design, as well as various other concepts such as dispersion, Fourier transformation, interference, and nonlinear optics.
Onset Of Superconductivity In Decreasing Fields For General Domains, Andrew J. Bernoff, Peter Sternberg
Onset Of Superconductivity In Decreasing Fields For General Domains, Andrew J. Bernoff, Peter Sternberg
All HMC Faculty Publications and Research
Ginzburg–Landau theory has provided an effective method for understanding the onset of superconductivity in the presence of an external magnetic field. In this paper we examine the instability of the normal state to superconductivity with decreasing magnetic field for a closed smooth cylindrical region of arbitrary cross-section subject to a vertical magnetic field. We examine the problem asymptotically in the boundary layer limit (i.e., when the Ginzburg–Landau parameter, k, is large). We demonstrate that instability first occurs in a region exponentially localized near the point of maximum curvature on the boundary. The transition occurs at a value of the …